SCHEMBL868044

SCHEMBL868044

CC(=O)CCc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.60
ALDH1A1 P00352 1/20 0.60
ESR1 P03372 2/20 0.56
CYP19A1 P11511 2/20 0.56
NAPRT Q6XQN6 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
CHRNA7 P36544 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP2A6 P11509 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL11004443 0.98 TBXAS1 (0.61) TBXAS1ALDH1A1ESR1CYP19A1NAPRT
SCHEMBL7165228 0.91 TBXAS1 (0.68) TBXAS1ESR1CYP19A1NAPRTCHRNA7
SCHEMBL27939457 0.85 TBXAS1 (0.64) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL4657409 0.85 ESR1 (0.59) TBXAS1ESR1CYP19A1CHRNA7TDP1
SCHEMBL333061 0.83 TBXAS1 (0.78) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL29403620 0.83 TBXAS1 (0.78) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
Benzylacetone SCHEMBL27647678 0.82 ALDH1A1 (0.62) TBXAS1ALDH1A1NAPRTCYP1A2CYP3A4
SCHEMBL12530406 0.82 TBXAS1 (0.57) TBXAS1ESR1CYP19A1NAPRTCYP1A2
SCHEMBL1283208 0.81 TBXAS1 (0.60) TBXAS1ESR1CYP19A1NAPRTCYP1A2
SCHEMBL83186 0.81 RECQL (0.62) TBXAS1ESR1CYP19A1NAPRTCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105523552-B A kind of graphene composite conductive powder and preparation method thereof 中国科学院宁波材料技术与工程研究所 2018-05-15 CN claimed
CN-105523552-A Graphene compound conductive powder and preparation method thereof NINGBO INST MAT TECH & ENG CAS 2016-04-27 CN claimed
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 WO disclosed
EP-3490983-B1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-02-17 EP disclosed
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 US disclosed
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 US disclosed
US-20180179151-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF UNIVERSITY OF TSUKUBA (JP) 2018-06-28 US disclosed
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 EP disclosed
CN-105523552-B A kind of graphene composite conductive powder and preparation method thereof 中国科学院宁波材料技术与工程研究所 2018-05-15 CN disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 US disclosed
US-9617309-B2 Proline-locked stapled peptides and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-04-11 US disclosed
US-7465801-B2 Process to prepare pioglitazone via several novel intermediates CADILA HEALTHCARE LIMITED (IN) 2008-12-16 US disclosed
US-20080300282-A1 Novel process to prepare pioglitazone via several novel intermediates CADILA HEALTHCARE LIMITED (IN) 2008-12-04 US disclosed
US-20080004446-A1 Novel process to prepare pioglitazone via several novel intermediates CADILA HEALTHCARE LIMITED (IN) 2008-01-03 US disclosed
EP-1521753-B1 A PROCESS TO PREPARE PIOGLITAZONE VIA SEVERAL INTERMEDIATES. CADILA HEALTHCARE LTD (IN) 2007-09-05 EP disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
EP-1336612-B1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2007-01-17 EP disclosed
US-20060167061-A1 Novel process to prepare pioglitazone via several novel intermediates CADILA HEALTHCARE LIMITED 2006-07-27 US disclosed
EP-1521753-A2 A PROCESS TO PREPARE PIOGLITAZONE VIA SEVERAL INTERMEDIATES. CADILA HEALTHCARE LTD. (IN) 2005-04-13 EP disclosed
WO-2004007490-A2 A PROCESS TO PREPARE PIOGLITAZONE VIA SEVERAL INTERMEDIATES. CADILA HEALTHCARE LIMITED (IN) 2004-01-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180179151-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF HCRTR2, HCRTR1, NPSR1 TBXAS1 2807/4885ALDH1A1 968/4885ESR1 2144/4885
US-20080004446-A1 Novel process to prepare pioglitazone via several novel intermediates PPARD, PPARG, PPARA TBXAS1 283/4885ALDH1A1 742/4885ESR1 2614/4885
US-20080300282-A1 Novel process to prepare pioglitazone via several novel intermediates PPARD, PPARG, PPARA TBXAS1 320/4885ALDH1A1 1084/4885ESR1 2572/4885
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 TBXAS1 1327/4885ALDH1A1 359/4885ESR1 894/4885
US-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 TBXAS1 1011/4885ALDH1A1 4023/4885ESR1 3129/4885
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 TBXAS1 1011/4885ALDH1A1 4023/4885ESR1 3129/4885
US-20060167061-A1 Novel process to prepare pioglitazone via several novel intermediates PPARD, PPARG, PPARA TBXAS1 320/4885ALDH1A1 1084/4885ESR1 2572/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.